N-(3-chloranyl-4-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide bromide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide bromide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide bromide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(2-isoquinolin-2-iumyl)acetamide bromide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide bromide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide bromide Formula: C17H13BrClFN2O MolecularWeight: 395.653323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=C(C=C3)F)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=C(C=C3)F)Cl.[Br-]

InChI

InChI=1S/C17H12ClFN2O.BrH/c18-15-9-14(5-6-16(15)19)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21;/h1-10H,11H2;1H